N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide

C18H25F3N4O2 — CID 143229500

IUPACN-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide
SMILESO=CN(CCC1CCCN(c2nccc(C(F)(F)F)n2)C1)C1CCOCC1
InChIInChI=1S/C18H25F3N4O2/c19-18(20,21)16-3-7-22-17(23-16)24-8-1-2-14(12-24)4-9-25(13-26)15-5-10-27-11-6-15/h3,7,13-15H,1-2,4-6,8-12H2
InChIKeyBQDDDXCMYIXAAP-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.74
Rot. Bonds6

About N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide

N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide (PubChem CID 143229500) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide
PubChem CID143229500
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC NameN-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide
SMILESO=CN(CCC1CCCN(c2nccc(C(F)(F)F)n2)C1)C1CCOCC1
InChIInChI=1S/C18H25F3N4O2/c19-18(20,21)16-3-7-22-17(23-16)24-8-1-2-14(12-24)4-9-25(13-26)15-5-10-27-11-6-15/h3,7,13-15H,1-2,4-6,8-12H2
InChIKeyBQDDDXCMYIXAAP-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide?
The IUPAC name of N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide (CID 143229500) is N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide?
The canonical SMILES for N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide is O=CN(CCC1CCCN(c2nccc(C(F)(F)F)n2)C1)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide?
The InChIKey is BQDDDXCMYIXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c19-18(20,21)16-3-7-22-17(23-16)24-8-1-2-14(12-24)4-9-25(13-26)15-5-10-27-11-6-15/h3,7,13-15H,1-2,4-6,8-12H2.
What are the key properties of N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide?
N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide has a molecular weight of 386.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide is sourced from PubChem (CID 143229500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).